6'epsilon-hydroxybudmunchiamine K
PubChem CID: 10625913
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| Compound Synonyms | CHEMBL518490, 6'epsilon-hydroxybudmunchiamine K |
|---|---|
| Topological Polar Surface Area | 59.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(6-hydroxypentadecyl)-1,9,13-trimethyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.7 |
| Molecular Formula | C31H64N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SRKLXMKWGYYXOG-UHFFFAOYSA-N |
| Fcsp3 | 0.967741935483871 |
| Logs | -3.381 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.785 |
| Compound Name | 6'epsilon-hydroxybudmunchiamine K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 524.503 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 524.503 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 524.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.498349800000002 |
| Inchi | InChI=1S/C31H64N4O2/c1-5-6-7-8-9-10-13-20-30(36)21-14-11-12-19-29-28-31(37)32-22-17-25-33(2)23-15-16-24-34(3)26-18-27-35(29)4/h29-30,36H,5-28H2,1-4H3,(H,32,37) |
| Smiles | CCCCCCCCCC(CCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Gummifera (Plant) Rel Props:Source_db:cmaup_ingredients